Geometry & MOs

Info

ID:	379148
PubChem CID:	134354934
Reduced:	F2N2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	403.097977
ΔH_f, kcal/mol:	-15.76
Dipole, Da:	3.52
IP(EA), eV:	-8.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[3-(hydroxymethyl)benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=C)NCC(=C)CN=C(C)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations